(4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one

C15H16N2O3 — CID 6339133

IUPAC(4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H16N2O3/c1-11-14(15(18)20-16-11)10-12-2-4-13(5-3-12)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3/b14-10+
InChIKeyTWEAUWBVAUHVBU-GXDHUFHOSA-N
MW272.30 g/mol
LogP1.84
Rot. Bonds2

About (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one

(4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one (PubChem CID 6339133) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one
PubChem CID6339133
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one
SMILESCC1=NOC(=O)/C1=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H16N2O3/c1-11-14(15(18)20-16-11)10-12-2-4-13(5-3-12)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3/b14-10+
InChIKeyTWEAUWBVAUHVBU-GXDHUFHOSA-N
XLogP1.84
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one?
The IUPAC name of (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one (CID 6339133) is (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one.
What is the SMILES notation for (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one?
The canonical SMILES for (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one is CC1=NOC(=O)/C1=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one?
The InChIKey is TWEAUWBVAUHVBU-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-14(15(18)20-16-11)10-12-2-4-13(5-3-12)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3/b14-10+.
What are the key properties of (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one?
(4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one has a molecular weight of 272.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methyl-4-[(4-morpholin-4-ylphenyl)methylidene]-1,2-oxazol-5-one is sourced from PubChem (CID 6339133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).